SCHEMBL8220846

SCHEMBL8220846

COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCc2ccccc2)C(=O)NCC(=O)NCc2ccc(C(=N)N)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.62
F10 P00742 10/20 0.62
PLG P00747 8/20 0.62
KLKB1 P03952 2/20 0.62
PROC P04070 1/20 0.62
F11 P03951 1/20 0.56
TMPRSS11D O60235 12/20 0.49
TMPRSS2 O15393 2/20 0.49
TMPRSS6 Q8IU80 3/20 0.45
PRSS1 P07477 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12156717 0.90 F2 (0.59) F2F10PLGKLKB1PROC
SCHEMBL8289971 0.90 F2 (0.59) F2F10PLGKLKB1PROC
SCHEMBL8221418 0.89 F10 (0.52) F2F10PLGKLKB1PROC
SCHEMBL8291002 0.85 F10 (0.56) F2F10PLGKLKB1PROC
SCHEMBL8291001 0.85 F10 (0.56) F2F10PLGKLKB1PROC
SCHEMBL8289816 0.85 F2 (0.54) F2F10PLGKLKB1PROC
SCHEMBL8289962 0.85 F2 (0.54) F2F10PLGKLKB1PROC
SCHEMBL15248054 0.85 F2 (0.70) F2F10PLGKLKB1PROC
SCHEMBL12044754 0.84 F2 (0.60) F2F10PLGKLKB1PROC
SCHEMBL14567278 0.83 F2 (0.55) F2F10PLGKLKB1PROC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008049595-A9 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE CURACYTE DISCOVERY GMBH (DE) 2009-01-29 WO disclosed
WO-2008049595-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2008-05-02 WO disclosed